Sugi Predict

Sugi Predict / Compounds / SCHEMBL3896549

SCHEMBL3896549

SCHEMBL3896549

C[C@@H](NC(=O)c1ccc(F)cc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ FLT1 P17948 2/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ ACLY P53396 2/20 0.33
▸ CCR2 P41597 2/20 0.33
▸ CCKAR P32238 2/20 0.32
▸ CCKBR P32239 2/20 0.32
▸ MRGPRX1 Q96LB2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN1B Q07699 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5727829 0.94 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATDP1CCKAR
SCHEMBL3895742 0.94 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATDP1CCKAR
SCHEMBL3900169 0.93 CCR2 (0.37) L3MBTL1TDP1KCNA5CCR2CCKAR
SCHEMBL3906717 0.92 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATDP1FLT1
SCHEMBL3909962 0.91 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATDP1FLT1
SCHEMBL3903757 0.91 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATDP1CCR2
SCHEMBL3896537 0.91 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATDP1KCNA5
SCHEMBL3907629 0.90 NR1I2 (0.33) MRGPRX1NR1I2SCN1ASCN1BSCN5A
SCHEMBL3900341 0.90 PDE2A (0.40) L3MBTL1MEN1KMT2ATDP1ACLY
SCHEMBL3901585 0.89 KCNA5 (0.38) KMT2AKCNA5CCR2MRGPRX1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — US claimed
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 — — US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 — — US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — US disclosed
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 — — EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 — — WO disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR L3MBTL1 1202/4885MEN1 2768/4885KMT2A 3053/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 L3MBTL1 1113/4885MEN1 2441/4885KMT2A 3281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.